============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.443 36.121 4.055 -99.200 -91.000 TYR 14 0.840 29.963 41.218 -1.251 -99.200 -91.000 HIS 23 0.900 32.238 26.323 -1.044 -99.200 -91.000 PHE 24 1.000 39.303 25.317 -0.885 -99.200 -91.000 TRP 34 1.040 45.379 41.546 -6.284 -99.200 -91.000 TRP6 34 1.020 47.057 40.178 -5.278 -99.200 -91.000 HIS 40 0.900 40.263 28.553 8.502 -99.200 -91.000 TYR 42 0.840 48.697 27.710 0.781 -99.200 -91.000 HIS 53 0.900 21.616 31.753 -5.585 -99.200 -91.000 PHE 64 1.000 33.283 27.461 -12.834 -99.200 -91.000 HIS 73 0.900 49.436 39.202 8.395 -99.200 -91.000 PHE 76 1.000 46.963 30.995 9.302 -99.200 -91.000 TRP 121 1.040 27.417 28.435 -2.332 -99.200 -91.000 TRP6 121 1.020 28.828 30.226 -3.069 -99.200 -91.000 TYR 131 0.840 28.740 20.757 4.364 -99.200 -91.000 TYR 152 0.840 34.361 32.038 21.190 -99.200 -91.000 PHE 165 1.000 21.769 37.405 15.351 -99.200 -91.000 TRP 193 1.040 38.520 31.551 15.728 -99.200 -91.000 TRP6 193 1.020 37.878 31.205 17.988 -99.200 -91.000 TYR 195 0.840 33.617 24.491 21.802 -99.200 -91.000 TYR 206 0.840 32.315 36.181 11.427 -99.200 -91.000 TYR 212 0.840 44.714 41.707 9.189 -99.200 -91.000 TRP 215 1.040 49.718 41.714 4.407 -99.200 -91.000 TRP6 215 1.020 48.136 40.088 3.677 -99.200 -91.000